data_global _chemical_name_mineral 'Gillespite' loop_ _publ_author_name 'Hazen R M' 'Burnham C W' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 1166 _journal_page_last 1176 _publ_section_title ; The crystal structures of gillespite I and II: A structure determination at high pressure P = 26 kbar, known as gillespite II ; _database_code_amcsd 0000430 _chemical_formula_sum 'Ba Fe Si4 O10' _cell_length_a 7.349 _cell_length_b 7.515 _cell_length_c 7.894 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 435.968 _exptl_crystal_density_diffrn 3.546 _symmetry_space_group_name_H-M 'P 21 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2-y,-z' '-x,-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba 0.00000 0.00000 0.00000 0.03800 Fe 0.00000 0.50000 0.18500 0.02026 SiA 0.68000 0.21500 0.33000 0.01900 SiB 0.27000 0.19000 0.29000 0.01773 O1 0.25500 0.26500 0.48000 0.06333 O2A 0.48000 0.21500 0.24500 0.03673 O2B 0.24500 0.97800 0.28000 0.16845 O3A 0.23000 0.63500 0.21000 0.15325 O3B 0.14500 0.28000 0.15500 0.02406